2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide

C18H17ClN2O3 — CID 23409557

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1C
InChIInChI=1S/C18H17ClN2O3/c1-11-3-5-14(7-12(11)2)20-17(22)9-21-15-8-13(19)4-6-16(15)24-10-18(21)23/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyNGABVFRNAGIPJP-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.32
Rot. Bonds3

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 23409557) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID23409557
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1C
InChIInChI=1S/C18H17ClN2O3/c1-11-3-5-14(7-12(11)2)20-17(22)9-21-15-8-13(19)4-6-16(15)24-10-18(21)23/h3-8H,9-10H2,1-2H3,(H,20,22)
InChIKeyNGABVFRNAGIPJP-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dichlorophenyl)acetamide
CID 23409530
N-(4-chloro-3-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18773554
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 954212
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32607513
4-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 31158542
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 31065986
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 37043497
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 66761528
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51046957

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide (CID 23409557) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1C.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is NGABVFRNAGIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-3-5-14(7-12(11)2)20-17(22)9-21-15-8-13(19)4-6-16(15)24-10-18(21)23/h3-8H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 344.80 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 23409557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).